Crystallography Open Database

Information card for entry 7052445

Preview

Coordinates	7052445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.5 H73 Br0.5 N0.5 O11
Calculated formula	C64.5 H56 Br0.5 N0.5 O11
Title of publication	Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations
Authors of publication	Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	116
a	29.4551 ± 0.0005 Å
b	15.4086 ± 0.0002 Å
c	25.479 ± 0.0005 Å
α	90°
β	99.503 ± 0.003°
γ	90°
Cell volume	11405.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1861
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.2758
Weighted residual factors for all reflections included in the refinement	0.3237
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180078 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/24.	7052445.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052445.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052445.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7052445.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052445.cif